Institute of Experimental Mineralogy
Russian Academy of Sciences
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142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
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*** W W W - X R A Y P O L ***
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EPIDOTE
6, t-epidote, at 1070'K, f-epidote, s-epidote
Ca(1.925)Al(2.265)Fe(0.745)Si(3)O(12)(OH)
Monoclinic P 2(1)/m Z = 2
R =0.0548 NR =519
21 .10 .10
Ref.Str.:
Gatta C.D., Meven M., Bromiley G. (2010)
* Phys. Chem. Minerals, 37, 475-485
R: from Val Sissone, Valmalenco, Rhetic Alps, Italy.
Neutron single-crystal diffraction. N.A.D
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.939 alpha = 90.0
b = 5.682 beta = 115.78
c = 10.251 gamma = 90.0
Unit cell volume (cub. angs.) = 468.84
Molar volume ( cub.cm/mol.) = 141.2
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.7588 0.75 0.1535 0.0 Ca = 1.00
2 0.6002 0.75 0.4183 0.0 Ca = 1.00
3 0.0 0.0 0.0 0.0 Al = 0.99, Fe = 0.01
4 0.0 0.0 0.5 0.0 Al = 1.00
5 0.2934 0.25 0.2257 0.0 Fe = 0.74, Al = 0.26
6 0.3385 0.75 0.044 0.0 Si = 1.00
7 0.6832 0.25 0.2728 0.0 Si = 1.00
8 0.184 0.75 0.3184 0.0 Si = 1.00
9 0.2334 0.9913 0.0384 0.0 O = 1.00
10 0.3039 0.9813 0.3555 0.0 O = 1.00
11 0.7935 0.0157 0.3409 0.0 O = 1.00
12 0.0562 0.25 0.1276 0.0 O = 1.00
13 0.0442 0.75 0.1471 0.0 O = 1.00
14 0.0665 0.75 0.4057 0.0 O = 1.00
15 0.5123 0.75 0.1769 0.0 O = 1.00
16 0.5221 0.25 0.3032 0.0 O = 1.00
17 0.6331 0.25 0.1018 0.0 O = 1.00
18 0.081 0.25 0.4296 0.0 O = 1.00
19 0.0579 0.25 0.3299 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.7588 0.75 0.1535
2 2 0.6002 0.75 0.4183
3 3 0.0 0.0 0.0
4 4 0.0 0.0 0.5
5 5 0.2934 0.25 0.2257
6 6 0.3385 0.75 0.044
7 7 0.6832 0.25 0.2728
8 8 0.184 0.75 0.3184
9 9 0.2334 0.9913 0.0384
10 10 0.3039 0.9813 0.3555
11 11 0.7935 0.0157 0.3409
12 12 0.0562 0.25 0.1276
13 13 0.0442 0.75 0.1471
14 14 0.0665 0.75 0.4057
15 15 0.5123 0.75 0.1769
16 16 0.5221 0.25 0.3032
17 17 0.6331 0.25 0.1018
18 18 0.081 0.25 0.4296
19 19 0.0579 0.25 0.3299
20 1 0.2412 0.25 0.8465
21 2 0.3998 0.25 0.5817
22 3 0.0 0.5 0.0
23 4 0.0 0.5 0.5
24 5 0.7066 0.75 0.7743
25 6 0.6615 0.25 0.956
26 7 0.3168 0.75 0.7272
27 8 0.816 0.25 0.6816
28 9 0.7666 0.4913 0.9616
29 10 0.6961 0.4813 0.6445
30 11 0.2065 0.5157 0.6591
31 12 0.9438 0.75 0.8724
32 13 0.9558 0.25 0.8529
33 14 0.9335 0.25 0.5943
34 15 0.4877 0.25 0.8231
35 16 0.4779 0.75 0.6968
36 17 0.3669 0.75 0.8982
37 18 0.919 0.75 0.5704
38 19 0.9421 0.75 0.6701
39 9 0.2334 0.5087 0.0384
40 10 0.3039 0.5187 0.3555
41 11 0.7935 0.4843 0.3409
42 9 0.7666 0.0087 0.9616
43 10 0.6961 0.0187 0.6445
44 11 0.2065 0.9843 0.6591
X-ray density (g/cm cub.) = 3.37
MU (1/cm) = 267.639 Mass attenuation coefficient (cm**2/g) = 79.401
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.88 7
2.3553 11
2.5804 13
2.8397 14
2.3179 15
2.4809 9
2.3553 11
2.4809 9
2 Ca 2.88 8
2.7702 10
2.6621 11
2.2472 15
2.5911 10
2.586 18
2.7702 10
2.6621 11
2.5911 10
3 Al ,Fe 2.592 6
1.9483 9
1.8465 12
1.9823 13
1.8465 12
1.9823 13
1.9483 9
4 Al 2.316 6
1.8592 11
1.9508 14
1.8755 18
1.9508 14
1.8755 18
1.8592 11
5 Fe ,Al 2.592 6
2.2889 9
2.0004 10
1.9111 12
1.8433 16
2.2889 9
2.0004 10
6 Si 2.1 4
1.6489 9
1.5584 15
1.6212 17
1.6489 9
7 Si 2.1 4
1.6227 11
1.6004 16
1.6095 17
1.6227 11
8 Si 2.1 4
1.6328 10
1.6542 13
1.6497 14
1.6328 10
9 O 3.264 10
3.0307 10
2.6011 12
2.7606 13
2.6518 15
3.1774 16
2.765 12
2.7982 13
2.6194 17
2.9399 9
2.7421 9
10 O 3.264 8
3.0307 9
2.8622 12
2.7141 13
2.7286 14
2.7078 16
2.8626 18
3.0535 10
2.6285 10
11 O 3.264 9
2.6955 14
2.7836 15
2.6442 16
2.6036 17
2.6779 18
2.6941 14
2.6032 18
2.6626 11
3.0194 11
12 O 3.264 10
2.6011 9
2.8622 10
2.8533 13
2.8533 13
3.006 18
2.765 9
2.5567 13
2.6011 9
2.8622 10
2.765 9
13 O 3.264 10
2.7606 9
2.7141 10
2.8533 12
2.8533 12
2.5705 14
2.7982 9
2.5567 12
2.7606 9
2.7141 10
2.7982 9
14 O 3.264 10
2.7286 10
2.6955 11
2.5705 13
2.8496 18
2.8496 18
2.6941 11
2.5545 18
2.7286 10
2.6955 11
2.6941 11
15 O 3.264 9
2.6518 9
2.7836 11
3.1075 16
3.1075 16
3.2486 17
3.2486 17
2.5732 17
2.6518 9
2.7836 11
16 O 3.264 9
3.1774 9
2.7078 10
2.6442 11
3.1075 15
3.1075 15
2.6512 17
3.1774 9
2.7078 10
2.6442 11
17 O 3.264 8
2.6036 11
3.2486 15
3.2486 15
2.6512 16
2.6194 9
2.5732 15
2.6036 11
2.6194 9
18 O 3.264 10
2.8626 10
2.6779 11
3.006 12
2.8496 14
2.8496 14
2.6032 11
2.5545 14
2.8626 10
2.6779 11
2.6032 11
19 H 1.632 1
0.9506 18
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 0 0 1 5.561 11.121 0.054 210.03 2 7.1 9.5
2 1 0 0 6.38 12.76 0.062 159.0 2 14.0 28.5
3 1 0 -1 6.386 12.772 0.062 158.69 2 12.7 23.1
4 1 0 1 10.158 20.316 0.099 61.39 2 14.7 12.1
5 1 0 -2 10.17 20.339 0.099 61.24 2 56.6 178.3
6 0 1 1 10.653 21.305 0.103 55.62 4 2.5 0.7
7 1 1 0 11.11 22.22 0.108 50.97 4 13.1 16.0
8 1 1 -1 11.113 22.227 0.108 50.94 4 14.8 20.3
9 0 0 2 11.175 22.349 0.108 50.35 2 6.7 2.0
10 2 0 -1 11.544 23.089 0.112 47.05 2 1.2 0.1
11 2 0 0 12.841 25.682 0.124 37.63 2 61.1 127.6
12 2 0 -2 12.853 25.707 0.124 37.55 2 60.1 123.5
13 1 1 1 13.674 27.348 0.132 32.95 4 24.5 36.1
14 1 1 -2 13.683 27.366 0.132 32.9 4 17.3 17.8
15 0 1 2 14.459 28.917 0.14 29.26 4 3.0 0.5
16 2 1 -1 14.751 29.502 0.142 28.03 4 67.9 235.0
17 1 0 2 15.188 30.376 0.146 26.33 2 56.6 76.8
18 1 0 -3 15.202 30.403 0.147 26.28 2 14.6 5.1
19 2 1 0 15.804 31.608 0.152 24.17 4 7.8 2.7
20 2 1 -2 15.814 31.629 0.152 24.14 4 11.3 5.6
21 2 0 1 16.166 32.331 0.156 23.02 2 61.2 78.5
22 2 0 -3 16.186 32.371 0.156 22.96 2 12.5 3.2
23 0 0 3 16.9 33.8 0.163 20.91 2 36.6 25.5
24 3 0 -1 17.699 35.398 0.17 18.9 2 20.4 7.2
25 3 0 -2 17.706 35.412 0.17 18.89 2 73.2 92.1
26 1 1 2 17.797 35.594 0.171 18.68 4 20.2 13.9
27 1 1 -3 17.809 35.617 0.171 18.65 4 140.2 667.3
28 0 2 0 18.351 36.702 0.176 17.46 2 132.9 280.5
29 2 1 1 18.653 37.306 0.179 16.85 4 40.1 49.2
30 2 1 -3 18.671 37.342 0.179 16.81 4 30.1 27.8
31 0 2 1 19.233 38.466 0.184 15.74 4 13.3 5.0
32 0 1 3 19.304 38.609 0.185 15.62 4 86.8 214.3
33 3 0 0 19.473 38.947 0.186 15.32 2 88.9 110.2
34 3 0 -3 19.493 38.985 0.187 15.28 2 9.5 1.2
35 1 2 0 19.504 39.008 0.187 15.26 4 67.8 127.5
36 1 2 -1 19.506 39.013 0.187 15.26 4 4.2 0.5
37 3 1 -1 20.02 40.041 0.191 14.4 4 106.6 297.7
38 3 1 -2 20.027 40.053 0.191 14.39 4 21.2 11.8
39 2 0 2 20.654 41.308 0.197 13.44 2 95.5 111.6
40 2 0 -4 20.679 41.357 0.197 13.4 2 18.0 4.0
41 1 0 3 20.701 41.402 0.198 13.37 2 8.0 0.8
42 1 0 -4 20.715 41.43 0.198 13.35 2 41.7 21.1
43 1 2 1 21.154 42.307 0.202 12.74 4 11.1 2.9
44 1 2 -2 21.16 42.319 0.202 12.73 4 49.8 57.5
45 3 1 0 21.633 43.267 0.206 12.11 4 15.7 5.4
46 3 1 -3 21.651 43.302 0.206 12.09 4 96.5 204.8
47 0 2 2 21.698 43.395 0.207 12.03 4 89.0 173.4
48 2 2 -1 21.905 43.809 0.209 11.78 4 35.6 27.2
49 2 2 0 22.667 45.335 0.215 10.9 4 11.5 2.6
50 2 2 -2 22.675 45.35 0.215 10.89 4 57.6 65.7
51 3 0 1 22.676 45.352 0.216 10.89 2 17.4 3.0
52 3 0 -4 22.704 45.408 0.216 10.86 2 30.5 9.2
53 2 1 2 22.722 45.444 0.216 10.84 4 25.4 12.7
54 2 1 -4 22.745 45.489 0.216 10.82 4 33.7 22.4
55 1 1 3 22.765 45.53 0.216 10.8 4 36.0 25.4
56 1 1 -4 22.778 45.557 0.216 10.78 4 25.4 12.7
57 0 0 4 22.805 45.611 0.217 10.75 2 9.0 0.8
58 4 0 -2 23.594 47.188 0.224 9.96 2 29.6 7.9
59 1 2 2 24.179 48.358 0.229 9.42 4 8.2 1.2
60 1 2 -3 24.188 48.376 0.229 9.41 4 53.5 49.0
61 4 0 -1 24.312 48.623 0.23 9.3 2 110.9 104.1
62 4 0 -3 24.326 48.652 0.23 9.29 2 35.1 10.4
63 3 1 1 24.609 49.217 0.233 9.05 4 1.6 0.0
64 3 1 -4 24.635 49.27 0.233 9.03 4 6.3 0.7
65 0 1 4 24.73 49.461 0.234 8.95 4 25.6 10.7
66 2 2 1 24.853 49.705 0.235 8.85 4 86.2 119.6
67 2 2 -3 24.867 49.733 0.235 8.84 4 91.6 134.9
68 0 2 3 25.374 50.748 0.24 8.44 4 76.5 90.0
69 4 1 -2 25.474 50.947 0.24 8.37 4 17.1 4.4
70 2 0 3 25.849 51.698 0.244 8.09 2 79.8 46.9
71 2 0 -5 25.876 51.753 0.244 8.07 2 12.3 1.1
72 3 2 -1 25.955 51.91 0.245 8.02 4 35.1 18.0
73 3 2 -2 25.96 51.92 0.245 8.01 4 24.0 8.4
74 4 1 -1 26.153 52.306 0.246 7.88 4 3.5 0.2
75 4 1 -3 26.167 52.333 0.247 7.87 4 4.4 0.3
76 4 0 0 26.391 52.781 0.248 7.72 2 78.0 42.7
77 4 0 -4 26.418 52.835 0.249 7.7 2 16.0 1.8
78 1 0 4 26.568 53.137 0.25 7.6 2 22.6 3.5
79 1 0 -5 26.584 53.167 0.25 7.59 2 38.2 10.1
80 3 0 2 26.914 53.827 0.253 7.38 2 12.7 1.1
81 3 0 -5 26.949 53.897 0.253 7.36 2 40.7 11.1
82 3 2 0 27.293 54.586 0.256 7.15 4 18.6 4.5
83 3 2 -3 27.308 54.615 0.256 7.14 4 26.5 9.1
84 2 1 3 27.616 55.233 0.259 6.96 4 39.6 19.9
85 2 1 -5 27.643 55.285 0.259 6.95 4 1.1 0.0
86 4 1 0 28.135 56.269 0.264 6.67 4 5.8 0.4
87 4 1 -4 28.16 56.321 0.264 6.66 4 1.1 0.0
88 2 2 2 28.216 56.433 0.264 6.63 4 77.2 71.9
89 2 2 -4 28.236 56.471 0.264 6.62 4 86.0 89.1
90 1 2 3 28.253 56.506 0.265 6.61 4 26.6 8.5
91 1 2 -4 28.264 56.529 0.265 6.6 4 53.9 34.9
92 1 1 4 28.305 56.609 0.265 6.58 4 43.4 22.6
93 1 1 -5 28.319 56.638 0.265 6.57 4 47.6 27.1
94 3 1 2 28.636 57.272 0.268 6.41 4 48.7 27.7
95 3 1 -5 28.669 57.339 0.268 6.39 4 2.6 0.1
96 0 3 1 28.823 57.645 0.269 6.32 4 0.1 0.0
97 0 0 5 28.98 57.96 0.271 6.24 2 22.8 2.9
98 1 3 0 29.023 58.046 0.271 6.22 4 31.0 10.9
99 1 3 -1 29.024 58.049 0.271 6.22 4 10.3 1.2
100 4 0 1 29.63 59.26 0.276 5.94 2 26.6 3.8
101 4 0 -5 29.667 59.335 0.277 5.92 2 13.3 1.0
102 3 2 1 29.851 59.701 0.278 5.84 4 29.1 9.0
103 3 2 -4 29.874 59.748 0.278 5.83 4 1.3 0.0
104 0 2 4 29.958 59.915 0.279 5.79 4 34.2 12.3
105 5 0 -2 30.172 60.344 0.281 5.7 2 80.6 33.7
106 5 0 -3 30.18 60.359 0.281 5.7 2 30.8 4.9
107 1 3 1 30.273 60.545 0.282 5.66 4 25.5 6.7
108 1 3 -2 30.277 60.555 0.282 5.66 4 18.5 3.5
109 4 2 -2 30.613 61.226 0.285 5.52 4 39.7 15.8
110 0 1 5 30.626 61.252 0.285 5.51 4 48.3 23.4
111 0 3 2 30.696 61.391 0.285 5.49 4 3.3 0.1
112 2 3 -1 30.858 61.716 0.287 5.42 4 54.1 28.9
113 4 2 -1 31.217 62.435 0.29 5.29 4 28.1 7.6
114 4 2 -3 31.229 62.459 0.29 5.28 4 25.6 6.3
115 4 1 1 31.255 62.511 0.29 5.27 4 8.6 0.7
116 4 1 -5 31.292 62.583 0.29 5.26 4 69.0 45.5
117 5 0 -1 31.388 62.776 0.291 5.22 2 11.1 0.6
118 5 0 -4 31.411 62.821 0.291 5.21 2 23.5 2.6
119 2 3 0 31.463 62.925 0.292 5.19 4 9.0 0.8
120 2 3 -2 31.469 62.937 0.292 5.19 4 8.2 0.6
121 2 0 4 31.6 63.199 0.293 5.15 2 30.2 4.3
122 2 0 -6 31.63 63.26 0.293 5.13 2 63.7 19.0
123 5 1 -2 31.781 63.562 0.294 5.08 4 41.2 15.7
124 5 1 -3 31.788 63.577 0.294 5.08 4 38.3 13.6
125 3 0 3 31.944 63.888 0.296 5.03 2 21.3 2.1
126 3 0 -6 31.984 63.969 0.296 5.01 2 83.8 32.0
127 2 2 3 32.534 65.067 0.301 4.83 4 1.5 0.0
128 2 2 -5 32.557 65.114 0.301 4.82 4 25.1 5.5
129 1 3 2 32.688 65.376 0.302 4.78 4 13.5 1.6
130 1 3 -3 32.695 65.391 0.302 4.78 4 93.5 76.0
131 1 0 5 32.83 65.66 0.303 4.74 2 57.1 14.1
132 1 0 -6 32.846 65.692 0.303 4.73 2 128.8 71.4
133 5 1 -1 32.963 65.926 0.304 4.7 4 100.9 87.1
134 5 1 -4 32.985 65.971 0.304 4.69 4 24.2 5.0
135 4 2 0 33.004 66.008 0.304 4.68 4 45.7 17.8
136 4 2 -4 33.028 66.055 0.305 4.68 4 103.4 91.0
137 1 2 4 33.159 66.318 0.306 4.64 4 70.4 41.8
138 2 1 4 33.17 66.339 0.306 4.63 4 44.4 16.6
139 1 2 -5 33.172 66.345 0.306 4.63 4 5.3 0.2
140 2 1 -6 33.199 66.398 0.306 4.63 4 38.6 12.5
141 2 3 1 33.245 66.49 0.306 4.61 4 31.5 8.3
142 2 3 -3 33.257 66.513 0.307 4.61 4 21.0 3.7
143 3 2 2 33.461 66.923 0.308 4.55 4 63.9 33.8
144 3 2 -5 33.492 66.984 0.308 4.54 4 9.8 0.8
145 3 1 3 33.505 67.01 0.309 4.54 4 15.7 2.0
146 3 1 -6 33.545 67.089 0.309 4.52 4 7.8 0.5
147 0 3 3 33.68 67.361 0.31 4.49 4 65.9 35.4
148 5 0 0 33.753 67.506 0.311 4.47 2 14.7 0.9
149 5 0 -5 33.789 67.579 0.311 4.46 2 14.9 0.9
150 4 0 2 33.837 67.674 0.311 4.44 2 4.1 0.1
151 4 0 -6 33.883 67.767 0.312 4.43 2 140.2 79.2
152 3 3 -1 34.17 68.34 0.314 4.35 4 91.9 66.9
153 3 3 -2 34.175 68.349 0.314 4.35 4 30.5 7.3
154 1 1 5 34.37 68.74 0.316 4.3 4 69.6 37.9
155 1 1 -6 34.386 68.772 0.316 4.3 4 27.0 5.7
156 5 1 0 35.274 70.547 0.323 4.08 4 59.7 26.4
157 0 2 5 35.297 70.593 0.323 4.07 4 12.2 1.1
158 5 1 -5 35.309 70.619 0.323 4.07 4 21.6 3.5
159 3 3 0 35.315 70.63 0.323 4.07 4 23.3 4.0
160 3 3 -3 35.328 70.655 0.323 4.07 4 67.9 34.1
161 4 1 2 35.356 70.712 0.323 4.06 4 78.8 45.9
162 4 1 -6 35.402 70.803 0.324 4.05 4 11.2 0.9
163 0 0 6 35.549 71.098 0.325 4.02 2 36.9 5.0
164 4 2 1 35.883 71.766 0.328 3.94 4 5.1 0.2
165 4 2 -5 35.917 71.834 0.328 3.94 4 48.5 16.8
166 2 3 2 36.118 72.235 0.329 3.89 4 21.5 3.3
167 2 3 -4 36.135 72.269 0.33 3.89 4 20.1 2.9
168 1 3 3 36.15 72.3 0.33 3.89 4 16.1 1.8
169 1 3 -4 36.16 72.32 0.33 3.89 4 11.5 0.9
170 5 2 -2 36.375 72.75 0.332 3.84 4 17.4 2.1
171 5 2 -3 36.382 72.764 0.332 3.84 4 3.0 0.1
172 6 0 -3 36.897 73.794 0.336 3.74 2 47.0 7.5
173 0 1 6 37.037 74.075 0.337 3.71 4 10.4 0.7
174 5 0 1 37.163 74.327 0.338 3.69 2 8.1 0.2
175 5 0 -6 37.212 74.425 0.338 3.68 2 49.2 8.1
176 6 0 -2 37.447 74.894 0.34 3.64 2 12.0 0.5
177 6 0 -4 37.464 74.928 0.34 3.64 2 94.4 29.5
178 5 2 -1 37.488 74.976 0.34 3.63 4 27.2 4.9
179 5 2 -4 37.509 75.018 0.34 3.63 4 110.9 81.2
180 3 3 1 37.563 75.126 0.341 3.62 4 12.2 1.0
181 3 3 -4 37.584 75.168 0.341 3.61 4 2.3 0.0
182 0 3 4 37.658 75.317 0.342 3.6 4 17.7 2.0
183 2 2 4 37.683 75.366 0.342 3.6 4 66.6 29.1
184 3 0 4 37.688 75.376 0.342 3.6 2 58.4 11.2
185 2 2 -6 37.711 75.422 0.342 3.59 4 62.7 25.7
186 3 0 -7 37.734 75.468 0.342 3.59 2 4.3 0.1
187 2 0 5 37.927 75.853 0.344 3.56 2 7.6 0.2
188 2 0 -7 37.96 75.92 0.344 3.55 2 18.9 1.2
189 3 2 3 38.001 76.003 0.344 3.54 4 34.8 7.8
190 3 2 -6 38.039 76.077 0.344 3.54 4 96.3 59.7
191 4 3 -2 38.247 76.494 0.346 3.5 4 7.5 0.4
192 6 1 -3 38.365 76.73 0.347 3.49 4 9.5 0.6
193 5 1 1 38.628 77.257 0.349 3.44 4 31.1 6.1
194 5 1 -6 38.677 77.353 0.349 3.44 4 10.3 0.7
195 4 3 -1 38.794 77.588 0.35 3.42 4 6.8 0.3
196 4 3 -3 38.805 77.61 0.35 3.42 4 1.1 0.0
197 1 2 5 38.824 77.648 0.35 3.42 4 23.7 3.5
198 1 2 -6 38.839 77.679 0.351 3.41 4 18.9 2.2
199 4 0 3 38.908 77.816 0.351 3.4 2 55.8 9.6
200 6 1 -2 38.908 77.817 0.351 3.4 4 25.2 3.9
201 6 1 -4 38.925 77.85 0.351 3.4 4 18.1 2.0
202 4 0 -7 38.963 77.926 0.352 3.39 2 17.1 0.9
203 0 4 0 39.026 78.053 0.352 3.39 2 231.5 165.2
204 6 0 -1 39.099 78.197 0.353 3.38 2 15.4 0.7
205 6 0 -5 39.132 78.263 0.353 3.37 2 36.9 4.2
206 3 1 4 39.146 78.293 0.353 3.37 4 8.8 0.5
207 3 1 -7 39.192 78.383 0.353 3.36 4 37.7 8.7
208 2 1 5 39.382 78.764 0.355 3.34 4 73.8 33.0
209 2 1 -7 39.415 78.83 0.355 3.33 4 42.3 10.8
210 0 4 1 39.575 79.151 0.356 3.31 4 5.7 0.2
211 1 0 6 39.615 79.231 0.356 3.3 2 14.6 0.6
212 1 0 -7 39.633 79.266 0.357 3.3 2 32.2 3.1
213 5 2 0 39.689 79.377 0.357 3.29 4 57.2 19.6
214 5 2 -5 39.723 79.446 0.357 3.29 4 10.1 0.6
215 1 4 0 39.748 79.496 0.357 3.29 4 6.4 0.2
216 1 4 -1 39.749 79.498 0.357 3.29 4 8.1 0.4
217 4 2 2 39.768 79.535 0.358 3.28 4 131.2 102.9
218 4 2 -6 39.811 79.623 0.358 3.28 4 36.1 7.8
219 2 3 3 39.997 79.994 0.359 3.26 4 30.4 5.5
220 2 3 -5 40.019 80.038 0.359 3.25 4 5.3 0.2
221 4 1 3 40.353 80.707 0.362 3.21 4 3.5 0.1
222 4 1 -7 40.408 80.815 0.362 3.21 4 26.9 4.2
223 4 3 0 40.431 80.863 0.363 3.2 4 5.1 0.2
224 4 3 -4 40.453 80.906 0.363 3.2 4 3.5 0.1
225 6 1 -1 40.542 81.084 0.363 3.19 4 37.8 8.3
226 6 1 -5 40.575 81.15 0.364 3.19 4 7.1 0.3
227 1 3 4 40.575 81.15 0.364 3.19 4 44.1 11.3
228 1 3 -5 40.587 81.175 0.364 3.18 4 36.6 7.7
229 1 4 1 40.837 81.674 0.366 3.16 4 7.6 0.3
230 1 4 -2 40.841 81.683 0.366 3.16 4 32.9 6.2
231 3 3 2 40.856 81.711 0.366 3.15 4 27.1 4.2
232 3 3 -5 40.884 81.768 0.366 3.15 4 10.9 0.7
233 1 1 6 41.054 82.109 0.367 3.13 4 4.1 0.1
234 1 1 -7 41.072 82.144 0.367 3.13 4 4.1 0.1
235 0 4 2 41.211 82.421 0.368 3.12 4 3.1 0.1
236 2 4 -1 41.355 82.709 0.369 3.1 4 2.3 0.0
237 0 2 6 41.39 82.779 0.37 3.1 4 69.4 27.2
238 5 0 2 41.55 83.099 0.371 3.08 2 68.8 13.3
239 5 0 -7 41.611 83.221 0.371 3.08 2 15.6 0.7
240 6 0 0 41.816 83.631 0.373 3.06 2 25.5 1.8
241 6 0 -6 41.864 83.729 0.373 3.05 2 9.0 0.2
242 2 4 0 41.894 83.787 0.373 3.05 4 34.9 6.8
243 2 4 -2 41.899 83.798 0.373 3.05 4 35.4 7.0
244 0 3 5 42.578 85.155 0.378 2.99 4 41.4 9.3
245 6 2 -3 42.681 85.363 0.379 2.98 4 49.9 13.5
246 0 0 7 42.711 85.422 0.379 2.98 2 24.0 1.6
247 5 2 1 42.938 85.877 0.381 2.96 4 23.9 3.1
248 5 1 2 42.976 85.952 0.381 2.96 4 20.4 2.2
249 5 2 -6 42.986 85.971 0.381 2.96 4 36.7 7.3
250 1 4 2 43.001 86.002 0.381 2.95 4 33.8 6.2
251 1 4 -3 43.008 86.015 0.381 2.95 4 12.1 0.8
252 5 1 -7 43.037 86.074 0.381 2.95 4 4.2 0.1
253 4 3 1 43.134 86.268 0.382 2.94 4 9.4 0.5
254 4 3 -5 43.166 86.333 0.382 2.94 4 58.0 18.0
255 6 2 -2 43.213 86.425 0.383 2.94 4 74.6 29.8
256 6 2 -4 43.229 86.458 0.383 2.94 4 73.1 28.6
257 6 1 0 43.241 86.482 0.383 2.94 4 17.9 1.7
258 6 1 -6 43.289 86.579 0.383 2.93 4 23.9 3.0
259 3 2 4 43.446 86.892 0.384 2.92 4 2.9 0.0
260 3 2 -7 43.49 86.98 0.385 2.92 4 16.2 1.4
261 2 4 1 43.51 87.021 0.385 2.92 4 39.9 8.4
262 2 4 -3 43.521 87.042 0.385 2.92 4 1.8 0.0
263 5 3 -2 43.603 87.207 0.386 2.91 4 43.6 10.1
264 5 3 -3 43.61 87.22 0.386 2.91 4 27.0 3.9
265 2 2 5 43.677 87.354 0.386 2.91 4 32.5 5.6
266 2 2 -7 43.709 87.419 0.386 2.9 4 18.1 1.7
267 0 4 3 43.911 87.823 0.388 2.89 4 17.0 1.5
268 0 1 7 44.133 88.267 0.389 2.88 4 55.1 15.9
269 3 0 5 44.219 88.438 0.39 2.87 2 69.6 12.7
270 3 0 -8 44.271 88.543 0.39 2.87 2 91.7 22.0
271 3 4 -1 44.365 88.73 0.391 2.86 4 12.4 0.8
272 3 4 -2 44.369 88.738 0.391 2.86 4 51.4 13.8
273 7 0 -3 44.592 89.184 0.392 2.85 2 26.9 1.9
274 7 0 -4 44.601 89.203 0.393 2.85 2 34.8 3.1
275 4 2 3 44.633 89.266 0.393 2.85 4 79.0 32.3
276 5 3 -1 44.673 89.346 0.393 2.85 4 96.5 48.2
277 4 2 -7 44.687 89.374 0.393 2.84 4 5.8 0.2
278 5 3 -4 44.693 89.386 0.393 2.84 4 12.6 0.8
279 6 2 -1 44.82 89.639 0.394 2.84 4 46.9 11.4
280 6 2 -5 44.852 89.704 0.394 2.84 4 87.1 39.2
281 2 3 4 44.862 89.723 0.394 2.84 4 38.4 7.6
282 4 0 4 44.866 89.733 0.394 2.84 2 66.4 11.4
283 2 3 -6 44.889 89.777 0.395 2.83 4 35.7 6.6
284 4 0 -8 44.931 89.862 0.395 2.83 2 23.6 1.4
285 2 0 6 44.989 89.979 0.395 2.83 2 58.0 8.7
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 0 0 1 5.561 11.121 9.23073 9.5 1.4 1.4 5.6
2 1 0 0 6.38 12.76 8.04931 51.7 7.6 7.7 5.6
3 1 0 -2 10.17 20.339 5.06595 190.5 28.0 28.3 5.6
4 1 1 -1 11.113 22.227 4.64051 36.3 5.3 5.4 5.6
5 2 0 0 12.841 25.682 4.02465 251.1 36.9 37.2 5.6
6 1 1 1 13.674 27.348 3.78367 54.0 7.9 8.0 5.6
7 2 1 -1 14.751 29.502 3.51292 235.0 34.5 34.7 5.6
8 1 0 2 15.188 30.376 3.41409 81.9 12.0 12.1 5.6
9 2 1 -2 15.814 31.629 3.28217 8.3 1.2 1.2 5.6
10 2 0 1 16.166 32.331 3.21268 81.8 12.0 12.0 5.6
11 0 0 3 16.9 33.8 3.07691 25.5 3.7 3.8 5.7
12 3 0 -2 17.706 35.412 2.94104 99.3 14.6 14.6 5.7
13 1 1 -3 17.809 35.617 2.92461 681.2 100.0 100.0 5.7
14 0 2 0 18.351 36.702 2.841 280.5 41.2 41.1 5.7
15 2 1 1 18.653 37.306 2.79661 77.0 11.3 11.3 5.7
16 0 1 3 19.304 38.609 2.70567 214.3 31.5 31.4 5.7
17 3 0 0 19.473 38.947 2.6831 111.5 16.4 16.3 5.7
18 1 2 0 19.504 39.008 2.67903 128.0 18.8 18.7 5.7
19 3 1 -1 20.02 40.041 2.61268 309.5 45.4 45.2 5.7
20 2 0 2 20.654 41.308 2.53584 115.6 17.0 16.9 5.7
21 1 0 -4 20.715 41.43 2.52872 21.1 3.1 3.1 5.7
22 1 2 -2 21.16 42.319 2.47794 60.3 8.9 8.8 5.7
23 3 1 -3 21.651 43.302 2.42432 210.2 30.9 30.6 5.7
24 0 2 2 21.698 43.395 2.41938 173.4 25.4 25.3 5.7
25 2 2 -1 21.905 43.809 2.39763 27.2 4.0 4.0 5.7
26 3 0 1 22.676 45.352 2.32016 71.3 10.5 10.4 5.7
27 2 1 2 22.722 45.444 2.31569 21.9 3.2 3.2 5.7
28 1 1 3 22.765 45.53 2.31153 61.3 9.0 8.9 5.7
29 4 0 -2 23.594 47.188 2.23475 7.9 1.2 1.2 5.7
30 1 2 -3 24.188 48.376 2.18303 50.1 7.4 7.3 5.7
31 4 0 -1 24.312 48.623 2.1726 114.5 16.8 16.6 5.7
32 0 1 4 24.73 49.461 2.13807 10.7 1.6 1.5 5.7
33 2 2 -3 24.867 49.733 2.12709 254.4 37.3 36.8 5.7
34 0 2 3 25.374 50.748 2.08731 90.0 13.2 13.0 5.8
35 2 0 3 25.849 51.698 2.05151 48.1 7.1 6.9 5.8
36 3 2 -1 25.955 51.91 2.04372 26.4 3.9 3.8 5.8
37 4 0 0 26.391 52.781 2.01233 44.5 6.5 6.4 5.8
38 1 0 -5 26.584 53.167 1.99878 13.6 2.0 2.0 5.8
39 3 0 -5 26.949 53.897 1.97369 11.1 1.6 1.6 5.8
40 3 2 -3 27.308 54.615 1.94969 13.6 2.0 2.0 5.8
41 2 1 3 27.616 55.233 1.92959 19.9 2.9 2.9 5.8
42 2 2 -4 28.236 56.471 1.89064 204.4 30.0 29.3 5.8
43 1 1 -5 28.319 56.638 1.88552 49.6 7.3 7.1 5.8
44 3 1 2 28.636 57.272 1.86641 27.7 4.1 4.0 5.8
45 1 3 0 29.023 58.046 1.84365 12.1 1.8 1.7 5.8
46 3 2 1 29.851 59.701 1.79704 9.0 1.3 1.3 5.8
47 0 2 4 29.958 59.915 1.79122 12.3 1.8 1.8 5.8
48 5 0 -2 30.172 60.344 1.77968 38.6 5.7 5.5 5.8
49 1 3 1 30.273 60.545 1.77431 10.2 1.5 1.5 5.8
50 0 1 5 30.626 61.252 1.75579 39.2 5.8 5.6 5.8
51 2 3 -1 30.858 61.716 1.74388 28.9 4.2 4.1 5.8
52 4 2 -1 31.217 62.435 1.7258 13.9 2.0 2.0 5.8
53 4 1 -5 31.292 62.583 1.72212 45.5 6.7 6.5 5.8
54 2 0 -6 31.63 63.26 1.70559 19.0 2.8 2.7 5.9
55 5 1 -2 31.781 63.562 1.69832 29.2 4.3 4.1 5.9
56 3 0 -6 31.984 63.969 1.68865 32.0 4.7 4.5 5.9
57 1 3 -3 32.695 65.391 1.65588 77.6 11.4 11.0 5.9
58 1 0 -6 32.846 65.692 1.64913 85.4 12.5 12.1 5.9
59 5 1 -1 32.963 65.926 1.64392 92.1 13.5 13.0 5.9
60 4 2 -4 33.028 66.055 1.64108 108.8 16.0 15.4 5.9
61 1 2 4 33.159 66.318 1.63531 58.7 8.6 8.3 5.9
62 2 1 -6 33.199 66.398 1.63358 12.5 1.8 1.8 5.9
63 2 3 1 33.245 66.49 1.63157 12.0 1.8 1.7 5.9
64 3 2 2 33.461 66.923 1.62224 33.8 5.0 4.8 5.9
65 0 3 3 33.68 67.361 1.61292 35.4 5.2 5.0 5.9
66 4 0 -6 33.883 67.767 1.6044 79.2 11.6 11.2 5.9
67 3 3 -1 34.17 68.34 1.59255 74.3 10.9 10.5 5.9
68 1 1 5 34.37 68.74 1.58441 43.6 6.4 6.1 5.9
69 5 1 0 35.274 70.547 1.54889 27.6 4.0 3.9 5.9
70 4 1 2 35.356 70.712 1.54576 87.5 12.8 12.3 5.9
71 4 2 -5 35.917 71.834 1.52479 16.8 2.5 2.4 5.9
72 6 0 -3 36.897 73.794 1.48983 7.5 1.1 1.0 6.0
73 5 0 -6 37.212 74.425 1.47901 8.1 1.2 1.1 6.0
74 6 0 -4 37.464 74.928 1.47052 34.3 5.0 4.8 6.0
75 5 2 -4 37.509 75.018 1.46901 81.2 11.9 11.3 6.0
76 3 0 4 37.688 75.376 1.46306 68.1 10.0 9.5 6.0
77 3 2 3 38.001 76.003 1.4528 7.8 1.1 1.1 6.0
78 3 2 -6 38.039 76.077 1.45159 59.7 8.8 8.3 6.0
79 4 0 3 38.908 77.816 1.42414 15.6 2.3 2.2 6.0
80 0 4 0 39.026 78.053 1.4205 165.2 24.2 22.8 6.0
81 3 1 -7 39.192 78.383 1.41547 8.7 1.3 1.2 6.0
82 2 1 5 39.382 78.764 1.40973 33.0 4.9 4.6 6.0
83 2 1 -7 39.415 78.83 1.40875 10.8 1.6 1.5 6.0
84 5 2 0 39.689 79.377 1.40062 19.6 2.9 2.7 6.0
85 4 2 2 39.768 79.535 1.3983 102.9 15.1 14.2 6.0
86 4 2 -6 39.811 79.623 1.39702 7.8 1.1 1.1 6.0
87 6 1 -1 40.542 81.084 1.37608 8.3 1.2 1.1 6.1
88 1 3 4 40.575 81.15 1.37515 19.0 2.8 2.6 6.1
89 1 4 -2 40.841 81.683 1.36775 10.4 1.5 1.4 6.1
90 0 2 6 41.39 82.779 1.35283 27.2 4.0 3.7 6.1
91 5 0 2 41.55 83.099 1.34856 13.3 1.9 1.8 6.1
92 2 4 -2 41.899 83.798 1.33937 13.7 2.0 1.9 6.1
93 0 3 5 42.578 85.155 1.32202 9.3 1.4 1.3 6.1
94 6 2 -3 42.681 85.363 1.31942 15.0 2.2 2.0 6.1
95 1 4 2 43.001 86.002 1.31151 15.7 2.3 2.1 6.1
96 4 3 -5 43.166 86.333 1.30746 18.0 2.6 2.4 6.1
97 6 2 -2 43.213 86.425 1.30634 60.1 8.8 8.1 6.1
98 2 4 1 43.51 87.021 1.29917 9.8 1.4 1.3 6.1
99 5 3 -2 43.603 87.207 1.29696 13.9 2.0 1.9 6.2
100 0 1 7 44.133 88.267 1.28454 15.9 2.3 2.1 6.2
101 3 0 5 44.219 88.438 1.28256 12.7 1.9 1.7 6.2
102 3 0 -8 44.271 88.543 1.28136 22.0 3.2 3.0 6.2
103 3 4 -2 44.369 88.738 1.27912 13.8 2.0 1.9 6.2
104 4 2 3 44.633 89.266 1.27314 32.3 4.7 4.3 6.2
105 5 3 -1 44.673 89.346 1.27224 49.2 7.2 6.6 6.2
106 6 2 -1 44.82 89.639 1.26896 11.4 1.7 1.5 6.2
107 6 2 -5 44.852 89.704 1.26824 58.1 8.5 7.8 6.2
108 2 0 6 44.989 89.979 1.26519 8.7 1.3 1.2 6.2
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
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